methanol;4-[3-(2,3,3-trimethyl-2H-indol-1-yl)propoxy]phenol

C21H29NO3 — CID 145279726

IUPACmethanol;4-[3-(2,3,3-trimethyl-2H-indol-1-yl)propoxy]phenol
SMILESCC1N(CCCOc2ccc(O)cc2)c2ccccc2C1(C)C.CO
InChIInChI=1S/C20H25NO2.CH4O/c1-15-20(2,3)18-7-4-5-8-19(18)21(15)13-6-14-23-17-11-9-16(22)10-12-17;1-2/h4-5,7-12,15,22H,6,13-14H2,1-3H3;2H,1H3
InChIKeyMAUFQHMGOCJRDO-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.96
Rot. Bonds5

About methanol;4-[3-(2,3,3-trimethyl-2H-indol-1-yl)propoxy]phenol

methanol;4-[3-(2,3,3-trimethyl-2H-indol-1-yl)propoxy]phenol (PubChem CID 145279726) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is methanol;4-[3-(2,3,3-trimethyl-2H-indol-1-yl)propoxy]phenol.

Molecular Properties

Compound Namemethanol;4-[3-(2,3,3-trimethyl-2H-indol-1-yl)propoxy]phenol
PubChem CID145279726
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Namemethanol;4-[3-(2,3,3-trimethyl-2H-indol-1-yl)propoxy]phenol
SMILESCC1N(CCCOc2ccc(O)cc2)c2ccccc2C1(C)C.CO
InChIInChI=1S/C20H25NO2.CH4O/c1-15-20(2,3)18-7-4-5-8-19(18)21(15)13-6-14-23-17-11-9-16(22)10-12-17;1-2/h4-5,7-12,15,22H,6,13-14H2,1-3H3;2H,1H3
InChIKeyMAUFQHMGOCJRDO-UHFFFAOYSA-N
XLogP3.96
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(2,3,3-trimethyl-2H-indol-1-yl)hexanoic acid;hydrobromide
CID 146418024
6-chloro-2,3,3-trimethyl-1-(2-phenoxyethyl)-2H-indole
CID 54514499
4-[3-(2,3,3-trimethylindol-1-ium-1-yl)propoxy]phenol
CID 126720628
4-[9-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol
CID 118232233
4-[5-(4-hydroxyphenoxy)pentoxy]phenol
CID 20548963
1,4-dibutoxybenzene;phenol
CID 174756360
1,3-bis(1-butyl-3,3-dimethyl-2H-indol-2-yl)propan-2-one
CID 59773729
2,5-dimethyl-1-(3-phenoxypropyl)pyrrolidine
CID 123293615
9-[4-[4-[4-(9-hydroxyfluoren-9-yl)phenoxy]butoxy]phenyl]fluoren-9-ol
CID 118667902
(3S)-3-methyl-4-(4-phenoxybutyl)-1,3-dihydroquinoxalin-2-one
CID 97022561
4-octadecoxyphenol
CID 22179059
ethane;4-(3-methoxypropoxy)phenol
CID 143283309

Frequently Asked Questions

What is the IUPAC name of methanol;4-[3-(2,3,3-trimethyl-2H-indol-1-yl)propoxy]phenol?
The IUPAC name of methanol;4-[3-(2,3,3-trimethyl-2H-indol-1-yl)propoxy]phenol (CID 145279726) is methanol;4-[3-(2,3,3-trimethyl-2H-indol-1-yl)propoxy]phenol.
What is the SMILES notation for methanol;4-[3-(2,3,3-trimethyl-2H-indol-1-yl)propoxy]phenol?
The canonical SMILES for methanol;4-[3-(2,3,3-trimethyl-2H-indol-1-yl)propoxy]phenol is CC1N(CCCOc2ccc(O)cc2)c2ccccc2C1(C)C.CO.
What is the InChIKey of methanol;4-[3-(2,3,3-trimethyl-2H-indol-1-yl)propoxy]phenol?
The InChIKey is MAUFQHMGOCJRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2.CH4O/c1-15-20(2,3)18-7-4-5-8-19(18)21(15)13-6-14-23-17-11-9-16(22)10-12-17;1-2/h4-5,7-12,15,22H,6,13-14H2,1-3H3;2H,1H3.
What are the key properties of methanol;4-[3-(2,3,3-trimethyl-2H-indol-1-yl)propoxy]phenol?
methanol;4-[3-(2,3,3-trimethyl-2H-indol-1-yl)propoxy]phenol has a molecular weight of 343.47 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;4-[3-(2,3,3-trimethyl-2H-indol-1-yl)propoxy]phenol is sourced from PubChem (CID 145279726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).